LatticePhase.h Source File#
LatticePhase.h
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Header file for class ThermoPhase, the base class for phases with thermodynamic properties,...
A map of string keys to values whose type can vary at runtime.
Definition AnyMap.h:427
A simple thermodynamic model for a bulk phase, assuming a lattice of solid atoms.
Definition LatticePhase.h:184
const vector< double > & entropy_R_ref() const
Returns a reference to the dimensionless reference state Entropy vector.
Definition LatticePhase.cpp:209
double enthalpy_mole() const override
Return the Molar Enthalpy. Units: J/kmol.
Definition LatticePhase.cpp:26
double logStandardConc(size_t k=0) const override
Natural logarithm of the standard concentration of the kth species.
Definition LatticePhase.cpp:87
void getPartialMolarEnthalpies(double *hbar) const override
Returns an array of partial molar enthalpies for the species in the mixture.
Definition LatticePhase.cpp:103
void getChemPotentials(double *mu) const override
Get the species chemical potentials. Units: J/kmol.
Definition LatticePhase.cpp:92
vector< double > m_g0_RT
Temporary storage for the reference state Gibbs energies.
Definition LatticePhase.h:574
bool isCompressible() const override
Return whether phase represents a compressible substance.
Definition LatticePhase.h:198
void getSpeciesParameters(const string &name, AnyMap &speciesNode) const override
Get phase-specific parameters of a Species object such that an identical one could be reconstructed a...
Definition LatticePhase.cpp:291
map< string, size_t > nativeState() const override
Return a map of properties defining the native state of a substance.
Definition LatticePhase.h:202
void getEntropy_R(double *sr) const override
Get the array of nondimensional Entropy functions for the species standard states at the current T an...
Definition LatticePhase.cpp:155
void getGibbs_ref(double *g) const override
Returns the vector of the Gibbs function of the reference state at the current temperature of the sol...
Definition LatticePhase.cpp:170
void getStandardChemPotentials(double *mu) const override
Get the array of chemical potentials at unit activity for the species at their standard states at the...
Definition LatticePhase.cpp:131
void getCp_R(double *cpr) const override
Get the nondimensional Heat Capacities at constant pressure for the species standard states at the cu...
Definition LatticePhase.cpp:178
void getParameters(AnyMap &phaseNode) const override
Store the parameters of a ThermoPhase object such that an identical one could be reconstructed using ...
Definition LatticePhase.cpp:285
string type() const override
String indicating the thermodynamic model implemented.
Definition LatticePhase.h:194
void initThermo() override
Initialize the ThermoPhase object after all species have been set up.
Definition LatticePhase.cpp:278
void getActivityConcentrations(double *c) const override
This method returns an array of generalized concentrations.
Definition LatticePhase.cpp:70
void setPressure(double p) override
Set the internally stored pressure (Pa) at constant temperature and composition.
Definition LatticePhase.cpp:53
const vector< double > & gibbs_RT_ref() const
Returns a reference to the dimensionless reference state Gibbs free energy vector.
Definition LatticePhase.cpp:195
void getPartialMolarVolumes(double *vbar) const override
Return an array of partial molar volumes for the species in the mixture.
Definition LatticePhase.cpp:126
double cv_mole() const override
Molar heat capacity at constant volume of the solution.
Definition LatticePhase.cpp:42
void getPureGibbs(double *gpure) const override
Get the Gibbs functions for the standard state of the species at the current T and P of the solution.
Definition LatticePhase.cpp:137
void getEnthalpy_RT(double *hrt) const override
Get the nondimensional Enthalpy functions for the species standard states at their standard states at...
Definition LatticePhase.cpp:146
vector< double > m_s0_R
Temporary storage for the reference state entropies at the current temperature.
Definition LatticePhase.h:578
void getGibbs_RT(double *grt) const override
Get the nondimensional Gibbs functions for the species standard states at the current T and P of the ...
Definition LatticePhase.cpp:161
double entropy_mole() const override
Molar entropy of the solution. Units: J/kmol/K.
Definition LatticePhase.cpp:32
void setSiteDensity(double sitedens)
Set the density of lattice sites [kmol/m^3].
Definition LatticePhase.cpp:249
vector< double > m_speciesMolarVolume
Vector of molar volumes for each species in the solution.
Definition LatticePhase.h:584
void getStandardVolumes(double *vol) const override
Get the molar volumes of the species standard states at the current T and P of the solution.
Definition LatticePhase.cpp:184
double cp_mole() const override
Molar heat capacity at constant pressure of the solution.
Definition LatticePhase.cpp:37
Units standardConcentrationUnits() const override
Returns the units of the "standard concentration" for this phase.
Definition LatticePhase.cpp:65
void getPartialMolarCp(double *cpbar) const override
Returns an array of partial molar Heat Capacities at constant pressure of the species in the solution...
Definition LatticePhase.cpp:118
void compositionChanged() override
Apply changes to the state which are needed after the composition changes.
Definition LatticePhase.cpp:59
double standardConcentration(size_t k=0) const override
Return the standard concentration for the kth species.
Definition LatticePhase.cpp:82
vector< double > m_cp0_R
Temporary storage for the reference state heat capacities.
Definition LatticePhase.h:571
double calcDensity()
Calculate the density of the mixture using the partial molar volumes and mole fractions as input.
Definition LatticePhase.cpp:47
bool addSpecies(shared_ptr< Species > spec) override
Add a Species to this Phase.
Definition LatticePhase.cpp:221
void _updateThermo() const
Update the species reference state thermodynamic functions.
Definition LatticePhase.cpp:265
void getGibbs_RT_ref(double *grt) const override
Returns the vector of nondimensional Gibbs Free Energies of the reference state at the current temper...
Definition LatticePhase.cpp:201
void getActivityCoefficients(double *ac) const override
Get the array of non-dimensional activity coefficients at the current solution temperature,...
Definition LatticePhase.cpp:75
void getPartialMolarEntropies(double *sbar) const override
Returns an array of partial molar entropies of the species in the solution.
Definition LatticePhase.cpp:109
const vector< double > & cp_R_ref() const
Returns a reference to the dimensionless reference state Heat Capacity vector.
Definition LatticePhase.cpp:215
Base class for a phase with thermodynamic properties.
Definition ThermoPhase.h:390
A representation of the units associated with a dimensional quantity.
Definition Units.h:35
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